SCHEMBL11835602

SCHEMBL11835602

CC1=CC(=Nc2ccc(N)cc2N)C(C)=CC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.36
▸ MAPT P10636 5/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ S1PR2 O95136 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ MPI P34949 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11826408 0.77 MAPT (0.39) CASP1MAPTALDH1A1S1PR2LMNA
SCHEMBL13525199 0.77 PABPC1 (0.41) MAPTALDH1A1RAB9AS1PR2LMNA
SCHEMBL11828101 0.75 PLK1 (0.34) MAPTALDH1A1RAB9AS1PR2LMNA
SCHEMBL11823825 0.74 CASP1 (0.38) CASP1MAPTALDH1A1RAB9ALMNA
SCHEMBL11822154 0.74 MEN1 (0.37) MAPTALDH1A1RAB9AS1PR2LMNA
SCHEMBL11326616 0.73 ALDH1A1 (0.37) MAPTALDH1A1RAB9ALMNATDP1
SCHEMBL11827715 0.72 PLK1 (0.34) MAPTALDH1A1RAB9AS1PR2LMNA
SCHEMBL11648128 0.69 ALDH1A1 (0.35) CASP1MAPTALDH1A1TDP1CYP3A4
SCHEMBL13371734 0.69 SIGMAR1 (0.36) MAPTALDH1A1RAB9ACYP3A4SMN1; SMN2
SCHEMBL1153853 0.68 CYP3A4 (0.38) MAPTALDH1A1RAB9ALMNACYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3984402-A Indoanilines for dyeing keratinous fibers L'OREAL (FR) 1976-10-05 — — US claimed
US-3984402-A Indoanilines for dyeing keratinous fibers L'OREAL (FR) 1976-10-05 — — US disclosed
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